2-azanyl-9-methyl-7-(phenylmethyl)-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-9-methyl-7-(phenylmethyl)-3H-purin-9-ium-6-one Openeye Name: 2-amino-7-benzyl-9-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-9-methyl-7-(phenylmethyl)-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7-benzyl-9-methyl-3H-purin-9-ium-6-one Traditional Name: 2-amino-7-benzyl-9-methyl-3H-purin-9-ium-6-one Formula: C13H14N5O+ MolecularWeight: 256.28316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1NC(=NC2=O)N)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1NC(=NC2=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C13H13N5O/c1-17-8-18(7-9-5-3-2-4-6-9)10-11(17)15-13(14)16-12(10)19/h2-6,8H,7H2,1H3,(H2-,14,15,16,19)/p+1